200,000+ products from a single source!
sales@angenechem.com
123289-89-4 | 2-Naphthalenesulfonic acid, 6-[[4-(1,1-dimethylethyl)phenyl]amino]-
CAS No: 123289-89-4 Catalog No: AG000KAD MDL No:
Product Description
Catalog Number:
AG000KAD
Chemical Name:
2-Naphthalenesulfonic acid, 6-[[4-(1,1-dimethylethyl)phenyl]amino]-
CAS Number:
123289-89-4
Molecular Formula:
C20H21NO3S
Molecular Weight:
355.4506
IUPAC Name:
6-(4-tert-butylanilino)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C20H21NO3S/c1-20(2,3)16-6-9-17(10-7-16)21-18-8-4-15-13-19(25(22,23)24)11-5-14(15)12-18/h4-13,21H,1-3H3,(H,22,23,24)
InChI Key:
QLAAJFRQMRRTMI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.452g/mol
Monoisotopic Mass:
355.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.